GPCRdb

CHEMBL4096314

Agent/drug
Bioactivity

CHEMBL4096314

SMILES	O=C(c1ccccc1)N1C[C@H]2OC34CCC1C2C31CCN(CCc2ccccc2)C4Cc2ccc(O)cc21
InChIKey	NTCCUWROZNYZLA-OUQYSMQKSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	506.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Mouse	Opioid	A	pKi	9.34	9.34	9.34	ChEMBL
κ	OPRK	Guinea pig	Opioid	A	pKi	7.47	7.47	7.47	ChEMBL
μ	OPRM	Mouse	Opioid	A	pKi	9.26	9.26	9.26	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	9.21	9.21	9.21	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	6.39	6.39	6.39	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	8.28	8.28	8.28	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4096314

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.